N-ethyl-2-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]cyclohexan-1-amine

C14H30N2S — CID 112664985

IUPACN-ethyl-2-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]cyclohexan-1-amine
SMILESCCNC1CCCCC1CN(C)C(C)CSC
InChIInChI=1S/C14H30N2S/c1-5-15-14-9-7-6-8-13(14)10-16(3)12(2)11-17-4/h12-15H,5-11H2,1-4H3
InChIKeyQJNJHXJKZWQZCZ-UHFFFAOYSA-N
MW258.47 g/mol
LogP2.84
Rot. Bonds7

About N-ethyl-2-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]cyclohexan-1-amine

N-ethyl-2-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]cyclohexan-1-amine (PubChem CID 112664985) has the molecular formula C14H30N2S and a molecular weight of 258.47 g/mol. Its IUPAC name is N-ethyl-2-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]cyclohexan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]cyclohexan-1-amine
PubChem CID112664985
Molecular FormulaC14H30N2S
Molecular Weight258.47 g/mol
Exact Mass258.21
IUPAC NameN-ethyl-2-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]cyclohexan-1-amine
SMILESCCNC1CCCCC1CN(C)C(C)CSC
InChIInChI=1S/C14H30N2S/c1-5-15-14-9-7-6-8-13(14)10-16(3)12(2)11-17-4/h12-15H,5-11H2,1-4H3
InChIKeyQJNJHXJKZWQZCZ-UHFFFAOYSA-N
XLogP2.84
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.47
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-tert-butyl-N-ethyl-2-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]cyclohexan-1-amine
CID 115987570
N-ethyl-2-[[methyl(pentan-3-yl)amino]methyl]cyclopentan-1-amine
CID 62616438
2-[[cyclopropyl(methyl)amino]methyl]-N-ethylcyclohexan-1-amine
CID 62616008
N-ethyl-2-[[methyl(3-methylbutyl)amino]methyl]cycloheptan-1-amine
CID 62610199
4-methyl-2-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]-N-propylcyclohexan-1-amine
CID 112665039
2-[[bis(3-methylbutyl)amino]methyl]-N-ethylcyclohexan-1-amine
CID 107871148
2-[[cyclopentylmethyl(methyl)amino]methyl]-N-ethylcyclopentan-1-amine
CID 63631296
2-[[cyclobutylmethyl(ethyl)amino]methyl]-N-ethylcyclohexan-1-amine
CID 107401671
2-[[2-(ethylamino)cyclohexyl]methyl-methylamino]cyclohexan-1-ol
CID 102636948
3-[[2-(ethylamino)cyclopentyl]methyl-propan-2-ylamino]propan-1-ol
CID 62610037
N-ethyl-N-[[2-(ethylamino)cyclopentyl]methyl]cyclohexanamine
CID 62614982
N-ethyl-2-[[ethyl(1-methoxypropan-2-yl)amino]methyl]cycloheptan-1-amine
CID 62610665

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]cyclohexan-1-amine?
The IUPAC name of N-ethyl-2-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]cyclohexan-1-amine (CID 112664985) is N-ethyl-2-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]cyclohexan-1-amine.
What is the SMILES notation for N-ethyl-2-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]cyclohexan-1-amine?
The canonical SMILES for N-ethyl-2-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]cyclohexan-1-amine is CCNC1CCCCC1CN(C)C(C)CSC.
What is the InChIKey of N-ethyl-2-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]cyclohexan-1-amine?
The InChIKey is QJNJHXJKZWQZCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2S/c1-5-15-14-9-7-6-8-13(14)10-16(3)12(2)11-17-4/h12-15H,5-11H2,1-4H3.
What are the key properties of N-ethyl-2-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]cyclohexan-1-amine?
N-ethyl-2-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]cyclohexan-1-amine has a molecular weight of 258.47 g/mol, XLogP of 2.84, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]cyclohexan-1-amine is sourced from PubChem (CID 112664985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).